Publications associées à Atomic-Scale Simulation of Electrochemical Processes at Electrode/Water Interfaces under Referenced Bias Potential

Publications associées (9)

Plasma-activated water retains antimicrobial properties against Escherichia coli after 72 h of storage

Laurens Joachim Balthazar Pipoz, Ivo Furno, Fabio Avino, Rita Agus, Brayden Graham Myers, Aleksandra Lavrikova

Plasma-activated water (PAW) is increasingly recognized for its bactericidal properties. To advance this technology toward practical applications and deepen the understanding of its mechanisms, it is crucial to study the storage stability of PAW, focusing ...

IOP Publishing Ltd2025

Electrolyte effects and stability of Zn/Li dual-ion batteries with water-in-salt electrolytes

Nikolaos Kakavas, Michael Graetzel, Ladislav Kavan, Felix Thomas Eickemeyer, Jiaqi Xu, Wenzhe Niu

Aqueous zinc-ion batteries have emerged as promising candidates for safe and cost-effective energy storage, yet their performance remains constrained by electrode stability and electrolyte composition. In this study, we investigate the electrochemical beha ...

2025

Verification of the Fourier-enhanced 3D finite element Poisson solver of the gyrokinetic full-f code PICLS

Laurent Villard, Stephan Brunner, Alberto Bottino, Moahan Murugappan

We introduce and derive the Fourier -enhanced 3D electrostatic field solver of the gyrokinetic full -f PIC code PICLS. The solver makes use of a Fourier representation in one periodic direction of the domain to make the solving of the system easily paralle ...

Elsevier2024

Simultaneous local sensing of two chemical properties with dual soft probe scanning electrochemical microscopy

Hubert Girault, Andreas Stephan Lesch

A new method for the rapid and economic fabrication of dual soft microelectrodes for Soft-Probe-Scanning electrochemical microscopy (Soft-Probe-SECM) and their use for the simultaneous local detection of locally generated species is presented. The process ...

PERGAMON-ELSEVIER SCIENCE LTD2023

Tunneling Current Through a Double Quantum Dots System

Jean-Michel Sallese, Farzan Jazaeri

Electrostatically confined quantum dots in semiconductors hold the promise to achieve high scalability and reliability levels for practical implementation of solid-state qubits where the electrochemical potentials of each quantum dot can be independently c ...

IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC2022

Investigation of Ethylene and Propylene Production from CO2 Reduction over Copper Nanocubes in an MEA-Type Electrolyzer

Raffaella Buonsanti, Valery Okatenko

Previous work carried out in fully liquid environ-ments and at low current densities has demonstrated that highly uniform faceted copper nanocrystals display different selectivity profiles in CO2 reduction compared to polycrystalline copper. As part of ong ...

AMER CHEMICAL SOC2022

Site-Specific Axial Oxygen Coordinated FeN4 Active Sites for Highly Selective Electroreduction of Carbon Dioxide

Jian Li

Regulating the coordination environment via heteroatoms to break the symmetrical electronic structure of M-N-4 active sites provides a promising route to engineer metal-nitrogen-carbon catalysts for electrochemical CO2 reduction reaction. However, it remai ...

2022

Atomic-Scale Modelling of Electrochemical Interfaces through Constant Fermi Level Molecular Dynamics

Alfredo Pasquarello

Electrochemical reactions involving electron/proton transfer occur in several technologically relevant environments, such as solar cells, energy conversion, and storage devices. In these systems, the electron/proton transfer is governed by the applied bias ...

John Wiley & Sons Ltd2021

The Influence of O-2 on Positive Streamer Initiation in Supercritical CO2 With Field Ionization Using a 3-D Particle Model

Guang-Yu Sun

In this work, the influence of varying mixing ratios of O-2 on positive streamer initiation in supercritical (SC) CO2 at different applied voltages was investigated using a 3-D particle model. Zener's model was included in the 3-D particle model to calcula ...

2021